SCHEMBL22504048

SCHEMBL22504048

CC(C)(C)OC(=O)N1Cc2cnn(C3COC3)c2C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 2/20 0.40
▸ DDB1 Q16531 1/20 0.40
▸ CRBN Q96SW2 1/20 0.40
▸ HPGDS O60760 2/20 0.40
▸ NAMPT P43490 2/20 0.39
▸ SLC34A1 Q06495 2/20 0.39
▸ HDAC1 Q13547 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ RECQL P46063 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ GPR119 Q8TDV5 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ MTOR P42345 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16060264 0.89 DDB1 (0.44) NR1H2DDB1CRBNHPGDSNAMPT
SCHEMBL30793215 0.88 HPGDS (0.42) NR1H2DDB1CRBNHPGDSNAMPT
SCHEMBL20792882 0.78 HPGDS (0.48) NR1H2DDB1CRBNHPGDSMAPT
SCHEMBL16217193 0.78 HPGDS (0.52) NR1H2DDB1CRBNHPGDSNAMPT
SCHEMBL16210651 0.78 ESR2 (0.48) NR1H2DDB1CRBNHPGDSMAPT
SCHEMBL20364274 0.78 NR1H2 (0.46) NR1H2DDB1CRBNHPGDSNAMPT
SCHEMBL23852254 0.76 HPGDS (0.50) NR1H2DDB1CRBNHPGDSNAMPT
SCHEMBL31739445 0.76 HPGDS (0.46) NR1H2DDB1CRBNHPGDSNAMPT
SCHEMBL23852997 0.76 HPGDS (0.48) NR1H2DDB1CRBNHPGDSNAMPT
SCHEMBL23794840 0.76 HPGDS (0.48) NR1H2DDB1CRBNHPGDSNAMPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11225479-B2 Bicyclic inhibitors of histone deacetylase ALKERMES, INC. (US) 2022-01-18 — — US disclosed
US-20210122748-A1 BICYCLIC INHIBITORS OF HISTONE DEACETYLASE JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2021-04-29 — — US disclosed
US-10793567-B2 Bicyclic inhibitors of histone deacetylase RODIN THERAPEUTICS, INC. (US) 2020-10-06 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210122748-A1 BICYCLIC INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC3 NR1H2 175/4885DDB1 1903/4885CRBN 1056/4885
US-10793567-B2 Bicyclic inhibitors of histone deacetylase HDAC2, HDAC1, HDAC11 NR1H2 227/4885DDB1 2017/4885CRBN 1536/4885
US-11225479-B2 Bicyclic inhibitors of histone deacetylase HDAC2, HDAC1, HDAC3 NR1H2 175/4885DDB1 1903/4885CRBN 1056/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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